methyl 1-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2-chloro-4-fluoro-benzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2-chloro-4-fluorophenyl)-oxomethyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-4-fluorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-chloro-4-fluoro-benzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C24H20ClFN2O6S MolecularWeight: 518.941803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C24H20ClFN2O6S/c1-34-24(31)22-14-27(23(30)19-11-6-16(26)12-20(19)25)21-5-3-2-4-15(21)13-28(22)35(32,33)18-9-7-17(29)8-10-18/h2-12,22,29H,13-14H2,1H3